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Compound Detail

CHEMBL455027

DADAHOL B
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COc1cc(C(O)C(COC(=O)/C=C/c2ccc(O)cc2)Oc2ccc(/C=C/COC(=O)/C=C/c3ccc(O)cc3)cc2OC)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL455027
Name DADAHOL B
Phase Preclinical
Structure Type MOL
InChI Key QXHQDOXKUWAPCH-NEGJHZKESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

668.7
MW (Da)
5.83
ALogP
11
HBA
4
HBD
161.2
PSA (Ų)
0.09
QED
3
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C38H36O11
MW 668.70
Aromatic Rings 4
Heavy Atoms 49
NP-Likeness 0.76

Literature References

PubMed DOI Target Context # Activities
11858749 10.1021/np010451c Prostaglandin G/H synthase 1 1
11858749 10.1021/np010451c Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine